SCHEMBL4037740

SCHEMBL4037740

CN(C)CCCOc1cc(-c2nc(C(=O)NC3CCCCC3)ccc2-c2ncccc2Cl)ccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 9/20 0.47
HTR7 P34969 1/20 0.42
ATM Q13315 2/20 0.41
CNR2 P34972 6/20 0.40
FAAH O00519 2/20 0.40
UTS2R Q9UKP6 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Bicarbonate SCHEMBL16493717 0.98 CNR1 (0.45) CNR1HTR7ATMCNR2FAAH
Bicarbonate SCHEMBL16493783 0.92 CNR1 (0.44) CNR1HTR7ATMCNR2FAAH
Bicarbonate SCHEMBL16493879 0.91 CNR1 (0.43) CNR1HTR7CNR2FAAH
Bicarbonate SCHEMBL16493878 0.91 CNR1 (0.43) CNR1HTR7ATMCNR2FAAH
Bicarbonate SCHEMBL16493571 0.89 CNR1 (0.44) CNR1HTR7ATMCNR2FAAH
Bicarbonate SCHEMBL16493747 0.89 CNR1 (0.46) CNR1HTR7ATMCNR2FAAH
Bicarbonate SCHEMBL16493849 0.89 CNR1 (0.48) CNR1HTR7ATMCNR2FAAH
Bicarbonate SCHEMBL16493825 0.86 CNR1 (0.44) CNR1HTR7ATMCNR2FAAH
Bicarbonate SCHEMBL16493753 0.86 CNR1 (0.45) CNR1HTR7ATMCNR2FAAH
Bicarbonate SCHEMBL16493731 0.86 CNR1 (0.45) CNR1HTR7ATMCNR2FAAH

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2439193-B1 Derivatives of 5,6-bisaryl-2-pyridine-carboxamide, preparation and use thereof in therapeutics as antagonists of urotensin II receptors SANOFI SA (FR) 2014-04-23 EP disclosed
EP-2059508-B1 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS SANOFI SA (FR) 2012-04-11 EP disclosed
EP-2059508-A1 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS Sanofi-Aventis (FR) 2009-05-20 EP disclosed
WO-2008020124-A1 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2008-02-21 WO disclosed